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CAS 217435-75-1 (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methanol molecular structure lightbox
CAS RN: 217435-75-1

(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260303 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS217435-75-1
  • Purity/Analytical Methods: >99.0%
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217435-75-1 / (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methanol

Standard CAS: 217435-75-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
217435-75-1
Multi CAS
No
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
SMILES
CC1=CC2=NC(=C(N2C=C1)CO)C
InChI
InChI=1S/C10H12N2O/c1-7-3-4-12-9(6-13)8(2)11-10(12)5-7/h3-5,13H,6H2,1-2H3
InChIKey
PFDTWSOHZOMIBM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.59
TPSA
37.53

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
1.7
Consensus LogP
1.47
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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